Re: [AMBER] Need a higher value for SKINNB

From: Scott Le Grand <varelse2005.gmail.com>
Date: Wed, 19 Jun 2013 11:59:02 -0700

Your periodic box shrank too much. Like Jason said...
On Jun 19, 2013 10:45 AM, "Hailin Huang" <hailin.huang.my.liu.edu> wrote:

> Hi Scott,
>
> The "cudaMemcpy GpuBuffer" error came from the GTX 780 that Jonathan used
> to post the test results. I switched to a 690 to run the same calculations
> and everything works fine. What is this error about?
>
> Thanks,
> Richard
>
>
> On Wed, Jun 19, 2013 at 1:16 PM, Scott Le Grand <varelse2005.gmail.com
> >wrote:
>
> > I'll update the error condition to be a little more descriptive.
> >
> >
> >
> > On Wed, Jun 19, 2013 at 5:33 AM, Hailin Huang <hailin.huang.my.liu.edu
> > >wrote:
> >
> > > Dear Jason,
> > >
> > > The problem was solved after I restarted the calculations, thank you!
> > >
> > > To one of my proteins (a mutant of the ones that run fine after
> restart),
> > > the same error showed up a second time in my restart. So I restarted it
> > > again, but this time I got this error "cudaMemcpy GpuBuffer::Download
> > > failed unspecified launch failure". Still, this message showed up only
> in
> > > the log file, the output just ended at a random step. Is recompiling
> > Amber
> > > 12 with the latest bug fixes the only way to solve this problem?
> > >
> > > Thanks in advance.
> > >
> > > Richard
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> > >
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> >
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Received on Wed Jun 19 2013 - 12:30:03 PDT
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